Information card for entry 7706102

Structure parameters

• Formula: C49 H76 N12 O2 Zn4
• Calculated formula: C49 H76 N12 O2 Zn4
• Title of publication: Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles.
• Authors of publication: Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 47
• Pages of publication: 17388 - 17394
• a: 8.1493 ± 0.0002 Å
• b: 17.0654 ± 0.0005 Å
• c: 19.193 ± 0.0004 Å
• α: 90°
• β: 98.62 ± 0.002°
• γ: 90°
• Cell volume: 2639.04 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No